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Updated: Jun 11, 2026

Synthesis of Ionic Liquid Based Electrolytes, Assembly of Li-ion Batteries, and Measurements of Performance at High Temperature
Published on: December 20, 2016
Excess entropy scaling of diffusion in room-temperature ionic liquids
Marco Malvaldi1, Cinzia Chiappe
1Dipartimento di Chimica e Chimica Industriale, Universita di Pisa, Via Risorgimento 35, 56126 Pisa, Italy. marco@dcci.unipi.it
Abstract:
Excess entropy scaling relationships for diffusivity of ions in room-temperature ionic liquids are tested using molecular dynamics simulations for a model ionic liquid, dimethyl imidazolium chloride. The thermodynamic excess entropy of the single ions (estimated from the ion-ion pair correlation functions) is shown to be very strongly correlated with the diffusivity. An essential feature of these systems, the fact that the heavier and larger cation has a greater diffusivity with respect to the anion, is correctly captured by the excess entropy calculations, which estimates the diffusivity ratio between the two ions with noticeable precision.
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